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140-64-7

Basic Information
CAS No.: 140-64-7
Name: Pentamidine isethionate
Article Data: 1
Molecular Structure:
Molecular Structure of 140-64-7 (Pentamidine isethionate)
Formula: C19H24N4O2.2(C2H6O4S)
Molecular Weight: 592.692
Synonyms: Pentamidine diisethionate;Prestwick_857;4,4-Diamidino-alpha,omega-diphenoxypentane isethionate;Pentam 300 (TN);p,p-(Pentamethylenedioxy)dibenzamidine bis(beta-hydroxyethanesulfonate);4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide; 2-hydroxyethanesulfonic acid;Pentacarinat;Lomidine;Pneumopent;RP 2512;4,4-Diamidinodiphenoxypentane di(beta-hydroxyethanesulfonate);WR 4931;USAF XR-10;Pentam 300;Nebupent;Lomidin;Benzamidine, 4,4-(pentamethylenedioxy)di-, bis(beta-hydroxyethanesulfonate);Ethanesulfonic acid, 2-hydroxy-, compd. with 4,4-(1,5-pentanediylbis(oxy))bis(benzenecarboximidamide) (2:1);R.P. 2512;Pentamidine isetionate;Lomidine isoethionate;
EINECS: 205-424-1
Melting Point: 188-194 °C(lit.)
Boiling Point: 539.4 °C at 760 mmHg
Flash Point: 280 °C
Appearance: COA
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38-43
Safety: 26-36/37
Transport Information: UN 3249
PSA: 284.16000
LogP: 4.37750
Synthetic route
1252-44-4

4,4'-pentanediyldioxy-bis-benzimidic acid diethyl ester

57267-78-4

isethionic acid ammonium salt

140-64-7

pentamidine isothionate

Conditions
ConditionsYield
In ethanol; water at 45 - 50℃; for 24h;83%
140-64-7

pentamidine isothionate

pentamidine hydrochloride

Conditions
ConditionsYield
With hydrogenchloride In water Heating;

C97H136N6O15

140-64-7

pentamidine isothionate

C97H136N6O15*C19H24N4O2*2C2H6O4S

Conditions
ConditionsYield
In chloroform-d1; d(4)-methanol at 24.84℃;
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    4,4'-(Pentane-1,5-diylbis(oxy))dibenziMidaMide bis(2-hydroxyethanesulfonate)

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  • Pentamidine Isethionate (200 mg)

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    Pentamidine Isethionate (200 mg)

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    Pentamidine Di-Isethionate

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    Pentamidine isethionate

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    140-64-7

    Pentamidine Diisethionate

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  • Pentamidine isethionate

  • Casno:

    140-64-7

    Pentamidine isethionate

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Chemistry

IUPAC Name: 4-[5-(4-Carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;2-hydroxyethanesulfonic acid 
Molecular Formula: C23H36N4O10S2
Molecular Weight: 592.69g/mol
EINECS: 205-424-1
Liansport Information: 5kgs
Melting Point: 188 - 194 °C 
Boiling Point: 539.4°C at 760mmHg
Flash Point: 280°C
Appearance: white crystalline powder
Freely Rotating Bonds: 10 
Polar Surface Area: 49.66 Å2 
Polarizability: 10-24 cm
Enthalpy of Vaporization: 81.68 kJ/mol 
Vapour Pressure: 1.06E-11 mmHg at 25°C 
The chemical synonyms of Pentamidine isethionate (140-64-7) are 1,5-Bis(p-amidinophenoxy)pentane bis(2-hydroxyethanesulfonate salt) ; 1,5-Bis[p-amidinophenoxy]pentane bis[2-hydroxyethanesulfonate salt] isethionate salt ; 4,4'-(Pentamethylenedioxy)dibenzamide bis(2-hydroxyethanesulfonate) ; 4,4'-(Pentamethylenedioxy)dibenzamidine, bis-2-hydroxyethanesulfonate ; Pentamidine isethionate ; Pentamidine isethionate salt ; 4,4'-(Pentamethylenedioxy)dibenzamidine bis 2-hyd ; Pentamidine isetionate .Product categories of  Pentamidine isethionate (140-64-7) are API  .The molecular structure of Pentamidine isethionate (140-64-7) is .

Uses

 It can be used as raw material in pharmaceutical .

Toxicity Data With Reference

1.    

dni-mus:leu 29,500 µg/L

    INNDDK    Investigational New Drugs. The Journal of New Anticancer Agents. 1 (1983),103.
2.    

ims-wmn TDLo:6 mg/kg/D:BLD,SKN

    CANCAR    Cancer. 34 (1974),441.
3.    

ipr-mus LD50:63 mg/kg

    ANTCAO    Antibiotics and Chemotherapy. 2 (1952),581.
4.    

scu-mus LD50:120 mg/kg

    ANTCAO    Antibiotics and Chemotherapy. 2 (1952),581.
5.    

ivn-mus LD50:15,100 µg/kg

    ANTCAO    Antibiotics and Chemotherapy. 2 (1952),581.

Safety Profile

Poison by intraperitoneal, subcutaneous, and intravenous routes. Human systemic effects by intramuscular route: hemorrhage and dermatitis. Mutation data reported. When heated to decomposition it emits very toxic fumes of NOx and SOx.
Hazard Codes:  Xi
Xi:  Irritant
Risk Statements:  36/37/38-43 
36/37/38:  Irritating to eyes, respiratory system and skin 
43:  May cause sensitization by skin contact
Safety Statements:  26-36/37
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37:  Wear suitable protective clothing and gloves